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Home > Other Building Blocks > 870298-04-7
870298-04-7 | 24-Triaconten-1-one, 1-(2,4,6-trihydroxyphenyl)-, (24Z)-
CAS No: 870298-04-7 Catalog No: AG004GN7 MDL No:
Product Description
Catalog Number:
AG004GN7
Chemical Name:
24-Triaconten-1-one, 1-(2,4,6-trihydroxyphenyl)-, (24Z)-
CAS Number:
870298-04-7
Molecular Formula:
C36H62O4
Molecular Weight:
558.8751
IUPAC Name:
1-(2,4,6-trihydroxyphenyl)triacont-24-en-1-one
InChI:
InChI=1S/C36H62O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33(38)36-34(39)30-32(37)31-35(36)40/h6-7,30-31,37,39-40H,2-5,8-29H2,1H3
InChI Key:
ZZAYAFZFYJHIKV-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCC(=O)c1c(O)cc(cc1O)O
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.465g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
558.888g/mol
Monoisotopic Mass:
558.465g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
15.1
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